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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Oct-2019	dmf_set_Me	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) GEN	-39.8471631874; Eh
	8-Oct-2019	/Decarboxylation/M06_2X/Int Int	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	6-311G(D,P)	-456.777829265; Eh
	8-Oct-2019	/Racemization/Al_Cat/From6RingTo5/Al_Cat/CO2_Insertion/TS_Insertion/After After	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-2215.50824931; Eh
	8-Oct-2019	/Racemization/TMA_Cat/Ensemble/PM6 Ensemble-Oriented	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPM6	VSTO-6G ZDO	-0.306980217793; Eh
	8-Oct-2019	/Decarboxylation/M06_2X/TS/Before Before	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-311G(D,P)	-456.902119692; Eh
	8-Oct-2019	/Racemization/TMA_Cat/M06_2X/TS2 TS2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	6-311G(D,P)	-631.315715080; Eh
	8-Oct-2019	/Racemization/TMA_Cat/M06_2X/TMA TMA	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-311G(D,P)	-174.431219736; Eh
	8-Oct-2019	/Racemization/TMA_Cat/PM6/TS1/Before Before	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPM6	VSTO-6G ZDO	-0.299247180580; Eh
	8-Oct-2019	/Decarboxylation/M06_2X/TS/FAIL_FromZoom FAIL_FromZoom	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311G(D,P)	-456.751597239; Eh
	8-Oct-2019	/Decarboxylation/M06_2X/Scan/Zoom/Zoom Zoom	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311G(D,P)	-456.862975767; Eh

Results 32331-32340 of 104512 (Search time: 0.033 seconds).